N-methyl-4-(methyldiazenyl)aniline

C8H11N3 — CID 23569166

IUPACN-methyl-4-(methyldiazenyl)aniline
SMILESC/N=N/c1ccc(NC)cc1
InChIInChI=1S/C8H11N3/c1-9-7-3-5-8(6-4-7)11-10-2/h3-6,9H,1-2H3/b11-10+
InChIKeyDEHUCFQTMUIILH-ZHACJKMWSA-N
MW149.20 g/mol
LogP2.44
Rot. Bonds2

About N-methyl-4-(methyldiazenyl)aniline

N-methyl-4-(methyldiazenyl)aniline (PubChem CID 23569166) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is N-methyl-4-(methyldiazenyl)aniline.

Molecular Properties

Compound NameN-methyl-4-(methyldiazenyl)aniline
PubChem CID23569166
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC NameN-methyl-4-(methyldiazenyl)aniline
SMILESC/N=N/c1ccc(NC)cc1
InChIInChI=1S/C8H11N3/c1-9-7-3-5-8(6-4-7)11-10-2/h3-6,9H,1-2H3/b11-10+
InChIKeyDEHUCFQTMUIILH-ZHACJKMWSA-N
XLogP2.44
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methyldiazenyl)aniline?
The IUPAC name of N-methyl-4-(methyldiazenyl)aniline (CID 23569166) is N-methyl-4-(methyldiazenyl)aniline.
What is the SMILES notation for N-methyl-4-(methyldiazenyl)aniline?
The canonical SMILES for N-methyl-4-(methyldiazenyl)aniline is C/N=N/c1ccc(NC)cc1.
What is the InChIKey of N-methyl-4-(methyldiazenyl)aniline?
The InChIKey is DEHUCFQTMUIILH-ZHACJKMWSA-N. The full InChI is InChI=1S/C8H11N3/c1-9-7-3-5-8(6-4-7)11-10-2/h3-6,9H,1-2H3/b11-10+.
What are the key properties of N-methyl-4-(methyldiazenyl)aniline?
N-methyl-4-(methyldiazenyl)aniline has a molecular weight of 149.20 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methyldiazenyl)aniline is sourced from PubChem (CID 23569166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).